(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

C14H13F2N3O5 — CID 10308812

IUPAC(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2ccc3c(c2)OC(F)(F)C(=O)N3C)C(=O)O1
InChIInChI=1S/C14H13F2N3O5/c1-17-11(20)10-6-19(13(22)23-10)7-3-4-8-9(5-7)24-14(15,16)12(21)18(8)2/h3-5,10H,6H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyMBMYESFCZXOCFX-SNVBAGLBSA-N
MW341.27 g/mol
LogP0.71
Rot. Bonds2

About (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 10308812) has the molecular formula C14H13F2N3O5 and a molecular weight of 341.27 g/mol. Its IUPAC name is (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID10308812
Molecular FormulaC14H13F2N3O5
Molecular Weight341.27 g/mol
Exact Mass341.08
IUPAC Name(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2ccc3c(c2)OC(F)(F)C(=O)N3C)C(=O)O1
InChIInChI=1S/C14H13F2N3O5/c1-17-11(20)10-6-19(13(22)23-10)7-3-4-8-9(5-7)24-14(15,16)12(21)18(8)2/h3-5,10H,6H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyMBMYESFCZXOCFX-SNVBAGLBSA-N
XLogP0.71
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 74082458
(5R)-3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58599566
(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10149461
(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746248
N-methyl-2-oxo-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidine-5-carboxamide
CID 69414159
(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215354
(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746383
methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate
CID 10287278
(5R)-3-[4-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 87470731
(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746333
(5R)-N-ethyl-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10149585
(5R)-2-oxo-3-(1,6,6-trifluoro-8-oxopyrido[2,1-c][1,4]benzoxazin-3-yl)-1,3-oxazolidine-5-carboxamide
CID 58746313

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (CID 10308812) is (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is CNC(=O)[C@H]1CN(c2ccc3c(c2)OC(F)(F)C(=O)N3C)C(=O)O1.
What is the InChIKey of (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is MBMYESFCZXOCFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13F2N3O5/c1-17-11(20)10-6-19(13(22)23-10)7-3-4-8-9(5-7)24-14(15,16)12(21)18(8)2/h3-5,10H,6H2,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 341.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 10308812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).